PCIDB

KNApSAcK Metabolite C00035535

Metabolite

KNApSAcK Entry

id C00035535
Name Benzyl acetate
CAS RN 140-11-4
Standard InChI InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
Standard InChI (Main Layer) InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1836

Link

ChEMBL

By standard InChI CHEMBL1233714
By standard InChI Main Layer CHEMBL1233714

KEGG

By LinkDB C15513

CTD

By CAS RN C046412

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Mandragora autumnalis 389206 Solanaceae asterids Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 CHEMBL1233714 CHEMBL1794524 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1233714 CHEMBL1794399 (1)
3 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1233714 CHEMBL1614458 (1)
0 / 0
P03372 Estrogen receptor NR3A1 CHEMBL1233714 CHEMBL1794542 (1)
1 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1233714 CHEMBL2114890 (1)
0 / 0

CTD interaction (5)

compound gene gene name gene description interaction interaction type form reference
pmid
C046412 5168 ENPP2
ATX
ATX-X
AUTOTAXIN
LysoPLD
NPP2
PD-IALPHA
PDNP2
ectonucleotide pyrophosphatase/phosphodiesterase 2 (EC:3.1.4.39) benzyl acetate results in increased expression of ENPP2 mRNA increases expression
mRNA 22952646
C046412 5168 ENPP2
ATX
ATX-X
AUTOTAXIN
LysoPLD
NPP2
PD-IALPHA
PDNP2
ectonucleotide pyrophosphatase/phosphodiesterase 2 (EC:3.1.4.39) benzyl acetate results in increased expression of ENPP2 protein increases expression
protein 22952646
C046412 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) benzyl acetate results in increased expression of MMP9 mRNA increases expression
mRNA 22952646
C046412 4318 MMP9
CLG4B
GELB
MANDP2
MMP-9
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) benzyl acetate results in increased expression of MMP9 protein increases expression
protein 22952646
C046412 5530 PPP3CA
CALN
CALNA
CALNA1
CCN1
CNA1
PPP2B
protein phosphatase 3, catalytic subunit, alpha isozyme (EC:3.1.3.16) benzyl acetate results in increased cleavage of and results in increased activity of PPP3CA protein increases activity
/ increases cleavage
protein 22952646

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM preferred title UniProt
#615363 Estrogen resistance; estrr P03372
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (2)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
H00249 Thyroid hormone resistance syndrome P10828 (related)

Diseases related to CTD interactions

11 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001259 C046412 Ataxia marker/mechanism
9608646
D003643 C046412 Death marker/mechanism
9608646
D006984 C046412 Hypertrophy marker/mechanism
9608646
D008113 C046412 Liver Neoplasms marker/mechanism
4060166
D009336 C046412 Necrosis marker/mechanism
9608646
D009361 C046412 Neoplasm Invasiveness marker/mechanism
22952646
D019636 C046412 Neurodegenerative Diseases marker/mechanism
9608646
D010190 C046412 Pancreatic Neoplasms marker/mechanism
2276694
D012640 C046412 Seizures marker/mechanism
9608646
D013274 C046412 Stomach Neoplasms marker/mechanism
4060166
D015431 C046412 Weight Loss marker/mechanism
9608646